REMARK Name = BDB057476 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.468 -1.163 -3.227 0.00 0.00 +0.068 C ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 0.622 0.998 -1.097 0.00 0.00 +0.121 A ATOM 3 C LIG 1 -0.706 1.422 -1.041 0.00 0.00 +0.046 A ATOM 4 C LIG 1 -1.705 0.732 -1.732 0.00 0.00 +0.007 A ATOM 5 C LIG 1 -1.388 -0.399 -2.492 0.00 0.00 -0.045 A ATOM 6 C LIG 1 -0.052 -0.814 -2.556 0.00 0.00 +0.007 A ATOM 7 C LIG 1 0.947 -0.120 -1.864 0.00 0.00 +0.046 A BRANCH 2 8 ATOM 8 O LIG 1 1.498 1.758 -0.373 0.00 0.00 -0.490 OA BRANCH 8 9 ATOM 9 C LIG 1 2.828 1.253 -0.234 0.00 0.00 +0.252 C BRANCH 9 10 ATOM 10 C LIG 1 3.583 2.171 0.715 0.00 0.00 +0.184 C BRANCH 10 13 ATOM 11 C LIG 1 4.385 0.645 3.285 0.00 0.00 +0.065 C ATOM 12 C LIG 1 5.285 0.967 2.152 0.00 0.00 +0.037 A ATOM 13 N LIG 1 4.897 1.648 1.030 0.00 0.00 -0.265 N ATOM 14 N LIG 1 5.884 1.805 0.132 0.00 0.00 -0.171 NA ATOM 15 C LIG 1 6.961 1.224 0.685 0.00 0.00 +0.093 A ATOM 16 C LIG 1 6.621 0.686 1.957 0.00 0.00 +0.052 A BRANCH 15 17 ATOM 17 C LIG 1 8.260 1.196 -0.002 0.00 0.00 +0.002 A ATOM 18 C LIG 1 8.428 1.855 -1.230 0.00 0.00 +0.010 A ATOM 19 C LIG 1 9.658 1.837 -1.894 0.00 0.00 +0.001 A ATOM 20 C LIG 1 10.739 1.157 -1.339 0.00 0.00 +0.000 A ATOM 21 C LIG 1 10.591 0.497 -0.122 0.00 0.00 +0.001 A ATOM 22 C LIG 1 9.360 0.515 0.542 0.00 0.00 +0.010 A ENDBRANCH 15 17 ENDBRANCH 10 13 ENDBRANCH 9 10 ENDBRANCH 8 9 ENDBRANCH 2 8 ENDBRANCH 1 5 BRANCH 1 23 ATOM 23 CA LIG 1 -3.244 -2.205 -2.395 0.00 0.00 +0.184 C BRANCH 23 24 ATOM 24 C LIG 1 -2.292 -3.245 -1.793 0.00 0.00 +0.326 C ATOM 25 O LIG 1 -2.070 -3.475 -0.615 0.00 0.00 -0.249 OA BRANCH 24 26 ATOM 26 OXT LIG 1 -1.672 -3.992 -2.737 0.00 0.00 -0.479 OA ATOM 27 HXT LIG 1 -1.122 -4.604 -2.202 0.00 0.00 +0.295 HD ENDBRANCH 24 26 ENDBRANCH 23 24 BRANCH 23 28 ATOM 28 N LIG 1 -4.072 -1.526 -1.372 0.00 0.00 -0.331 N ATOM 29 H LIG 1 -3.466 -1.053 -0.681 0.00 0.00 +0.147 HD BRANCH 28 30 ATOM 30 C LIG 1 -5.078 -2.206 -0.661 0.00 0.00 +0.039 A ATOM 31 C LIG 1 -5.587 -1.655 0.540 0.00 0.00 +0.043 A ATOM 32 C LIG 1 -6.618 -2.287 1.256 0.00 0.00 +0.013 A ATOM 33 C LIG 1 -7.203 -3.445 0.756 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -6.764 -3.966 -0.457 0.00 0.00 +0.002 A ATOM 35 C LIG 1 -5.724 -3.346 -1.161 0.00 0.00 +0.023 A BRANCH 31 36 ATOM 36 C LIG 1 -5.006 -0.399 1.088 0.00 0.00 +0.195 C ATOM 37 O LIG 1 -3.785 -0.262 1.124 0.00 0.00 -0.287 OA BRANCH 36 38 ATOM 38 C LIG 1 -5.878 0.698 1.583 0.00 0.00 +0.022 A ATOM 39 C LIG 1 -5.389 1.535 2.593 0.00 0.00 +0.012 A ATOM 40 C LIG 1 -6.176 2.582 3.077 0.00 0.00 +0.001 A ATOM 41 C LIG 1 -7.446 2.802 2.545 0.00 0.00 +0.000 A ATOM 42 C LIG 1 -7.929 1.983 1.524 0.00 0.00 +0.001 A ATOM 43 C LIG 1 -7.146 0.934 1.037 0.00 0.00 +0.012 A ENDBRANCH 36 38 ENDBRANCH 31 36 ENDBRANCH 28 30 ENDBRANCH 23 28 ENDBRANCH 1 23 TORSDOF 13